Geometry & MOs

Info

ID:	248235
PubChem CID:	103079882
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-30.22
Dipole, Da:	6.96
IP(EA), eV:	-9.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2(CCCC2)CO)[N+](=O)[O-]

DOS

IR

Vibrations